6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine

C47H43NO2 — CID 176751186

IUPAC6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3cccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4-c4ccccc4C5(C)C)c3c2c1
InChIInChI=1S/C47H43NO2/c1-45(2,3)28-25-33-43-38(20-14-22-40(43)50-44(33)36(26-28)46(4,5)6)48(29-23-24-31-30-15-10-12-21-39(30)49-41(31)27-29)37-19-13-18-35-42(37)32-16-9-11-17-34(32)47(35,7)8/h9-27H,1-8H3
InChIKeyFFRRGJALRMLTPW-UHFFFAOYSA-N
MW653.87 g/mol
LogP13.86
Rot. Bonds3

About 6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine

6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine (PubChem CID 176751186) has the molecular formula C47H43NO2 and a molecular weight of 653.87 g/mol. Its IUPAC name is 6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine.

Molecular Properties

Compound Name6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
PubChem CID176751186
Molecular FormulaC47H43NO2
Molecular Weight653.87 g/mol
Exact Mass653.33
IUPAC Name6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3cccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4-c4ccccc4C5(C)C)c3c2c1
InChIInChI=1S/C47H43NO2/c1-45(2,3)28-25-33-43-38(20-14-22-40(43)50-44(33)36(26-28)46(4,5)6)48(29-23-24-31-30-15-10-12-21-39(30)49-41(31)27-29)37-19-13-18-35-42(37)32-16-9-11-17-34(32)47(35,7)8/h9-27H,1-8H3
InChIKeyFFRRGJALRMLTPW-UHFFFAOYSA-N
XLogP13.86
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.87
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
CID 176751144
2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine
CID 176821684
2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine
CID 176821830
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751207
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 176751163
2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine
CID 176821650
6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751216
5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine
CID 176821941
5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-17-amine
CID 176821663
6,8-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 176751242
N-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 176751116
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568183

Frequently Asked Questions

What is the IUPAC name of 6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine?
The IUPAC name of 6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine (CID 176751186) is 6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine.
What is the SMILES notation for 6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine?
The canonical SMILES for 6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine is CC(C)(C)c1cc(C(C)(C)C)c2oc3cccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4-c4ccccc4C5(C)C)c3c2c1.
What is the InChIKey of 6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine?
The InChIKey is FFRRGJALRMLTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H43NO2/c1-45(2,3)28-25-33-43-38(20-14-22-40(43)50-44(33)36(26-28)46(4,5)6)48(29-23-24-31-30-15-10-12-21-39(30)49-41(31)27-29)37-19-13-18-35-42(37)32-16-9-11-17-34(32)47(35,7)8/h9-27H,1-8H3.
What are the key properties of 6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine?
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine has a molecular weight of 653.87 g/mol, XLogP of 13.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine is sourced from PubChem (CID 176751186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).